Monomers

Phosphonic acid, (1-bromoethenyl)-, diethyl ester

Identifiers

IUPAC name
1-bromo-1-diethoxyphosphorylethene
InchI
InChI=1S/C6H12BrO3P/c1-4-9-11(8,6(3)7)10-5-2/h3-5H2,1-2H3
InchI Key
SQMBBBWHQORDNI-UHFFFAOYSA-N
SMILES
CCOP(=O)(C(=C)Br)OCC
Canonical SMILES
CCOP(=O)(C(=C)Br)OCC
Isomeric SMILES
CCOP(=O)(C(=C)Br)OCC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H12BrO3P
Heavy Atom Count
11
Molecular Weight
243.037
Exact Molecular Weight
241.9707
Valence Electrons
66
Radical Electrons
0
tPSA
35.53
MolLogP
3.1186
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 23 22  0  0  0  0  0  0  0  0999 V2000
   -2.7948   -1.1620    0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9130   -0.6080    1.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4699    0.6413    0.9288 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1051    0.6315    0.3121 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.0812    1.1515    1.3267 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0541    1.7520   -1.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1038    3.0214   -0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0467    1.1269   -2.8889 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5279   -0.9065   -0.1789 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8396   -0.8540   -0.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8038   -1.2136    0.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2361   -0.9445   -0.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9836   -2.2214    0.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7284   -0.5980    0.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2716   -1.3353    1.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7127   -0.3769    2.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1887    3.4468    0.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1029    3.7995   -1.6178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1102    0.0307   -1.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141   -1.7200   -1.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5151   -1.9634    0.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1612   -1.4545    1.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3465   -0.2436    0.6430 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  6  8  1  0
  4  9  1  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  7 17  1  0
  7 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers